5-methyl-3-[3-(methylamino)propyl]-2-(3-methylphenyl)-1,3-thiazolidin-4-one

C15H22N2OS — CID 42795822

IUPAC5-methyl-3-[3-(methylamino)propyl]-2-(3-methylphenyl)-1,3-thiazolidin-4-one
SMILESCNCCCN1C(=O)C(C)SC1c1cccc(C)c1
InChIInChI=1S/C15H22N2OS/c1-11-6-4-7-13(10-11)15-17(9-5-8-16-3)14(18)12(2)19-15/h4,6-7,10,12,15-16H,5,8-9H2,1-3H3
InChIKeyXQAHOACRAIYOLO-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.57
Rot. Bonds5

About 5-methyl-3-[3-(methylamino)propyl]-2-(3-methylphenyl)-1,3-thiazolidin-4-one

5-methyl-3-[3-(methylamino)propyl]-2-(3-methylphenyl)-1,3-thiazolidin-4-one (PubChem CID 42795822) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 5-methyl-3-[3-(methylamino)propyl]-2-(3-methylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-methyl-3-[3-(methylamino)propyl]-2-(3-methylphenyl)-1,3-thiazolidin-4-one
PubChem CID42795822
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name5-methyl-3-[3-(methylamino)propyl]-2-(3-methylphenyl)-1,3-thiazolidin-4-one
SMILESCNCCCN1C(=O)C(C)SC1c1cccc(C)c1
InChIInChI=1S/C15H22N2OS/c1-11-6-4-7-13(10-11)15-17(9-5-8-16-3)14(18)12(2)19-15/h4,6-7,10,12,15-16H,5,8-9H2,1-3H3
InChIKeyXQAHOACRAIYOLO-UHFFFAOYSA-N
XLogP2.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenyl)-5-methyl-3-[3-(methylamino)propyl]-1,3-thiazolidin-4-one
CID 42795890
N-(furan-2-ylmethyl)-3-[5-methyl-2-(3-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide
CID 42814404
2-(2,5-dimethoxyphenyl)-5-methyl-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one
CID 42795938
(2R)-2-(3-methylphenyl)-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one
CID 93072504
2-(2-methoxyphenyl)-5-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one
CID 24715469
3-hexyl-5-methyl-2-(3-methylphenyl)imidazolidin-4-one
CID 83262813
(2S,5S)-5-methyl-3-(naphthalen-2-ylmethyl)-2-phenyl-1,3-thiazolidin-4-one
CID 124562296
(2R,5R)-5-methyl-3-(naphthalen-2-ylmethyl)-2-phenyl-1,3-thiazolidin-4-one
CID 124562295
1,3-dimethyl-5-(3-methylphenyl)imidazolidine-2,4-dione
CID 82114028
4-methyl-1-[3-(methylamino)propyl]pyridin-2-one
CID 62961955
(2R,5R)-5-methyl-3-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 1377930
2-[4-(dimethylamino)phenyl]-3-(2-methoxyethyl)-5-methyl-1,3-thiazolidin-4-one
CID 42814135

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[3-(methylamino)propyl]-2-(3-methylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 5-methyl-3-[3-(methylamino)propyl]-2-(3-methylphenyl)-1,3-thiazolidin-4-one (CID 42795822) is 5-methyl-3-[3-(methylamino)propyl]-2-(3-methylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-methyl-3-[3-(methylamino)propyl]-2-(3-methylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 5-methyl-3-[3-(methylamino)propyl]-2-(3-methylphenyl)-1,3-thiazolidin-4-one is CNCCCN1C(=O)C(C)SC1c1cccc(C)c1.
What is the InChIKey of 5-methyl-3-[3-(methylamino)propyl]-2-(3-methylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is XQAHOACRAIYOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-11-6-4-7-13(10-11)15-17(9-5-8-16-3)14(18)12(2)19-15/h4,6-7,10,12,15-16H,5,8-9H2,1-3H3.
What are the key properties of 5-methyl-3-[3-(methylamino)propyl]-2-(3-methylphenyl)-1,3-thiazolidin-4-one?
5-methyl-3-[3-(methylamino)propyl]-2-(3-methylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 278.42 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[3-(methylamino)propyl]-2-(3-methylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 42795822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).